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CHEBI:62127 - 3-O-[(2E)-2-methylicos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose

ChEBI IDCHEBI:62127
ChEBI Name3-O-[(2E)-2-methylicos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose
Stars
ASCII Name3-O-[(2E)-2-methylicos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-alpha,alpha-trehalose
DefinitionA sulfoglycolipid in which α,α-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with (2E)-2-methylicos-2-enoic acid.
Last Modified21 May 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC49H90O16S
Net Charge0
Average Mass967.310
Monoisotopic Mass966.59496
SMILESCCCCCCCCCCCCCCCCC/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C49H90O16S/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-33-37(3)47(56)63-44-42(54)39(36-51)61-49(64-48-45(65-66(57,58)59)43(55)41(53)38(35-50)60-48)46(44)62-40(52)34-32-30-28-26-24-21-17-15-13-11-9-7-5-2/h33,38-39,41-46,48-51,53-55H,4-32,34-36H2,1-3H3,(H,57,58,59)/b37-33+/t38-,39-,41-,42-,43+,44+,45-,46-,48-,49-/m1/s1
InChIKeyOFHDXPZDJZUGHW-QFMDKXFESA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-[(2E)-2-methylicos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62127) has functional parent α,α-trehalose (CHEBI:16551)
3-O-[(2E)-2-methylicos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62127) is a sulfoglycolipid (CHEBI:26829)
IUPAC Name 
3-O-[(2E)-2-methylicos-2-enoyl]-2-O-palmitoyl-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside
Synonyms  Source
3-O-[(2E)-2-methylicos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehaloseChEBI
3-O-[(2E)-2-methyleicos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-α,α-trehaloseChEBI
Citations